CID 13705242

3,4'-diamino-4-nitrodiphenyl ether

Structural Information

Molecular Formula
C12H11N3O3
SMILES
C1=CC(=CC=C1N)OC2=CC(=C(C=C2)[N+](=O)[O-])N
InChI
InChI=1S/C12H11N3O3/c13-8-1-3-9(4-2-8)18-10-5-6-12(15(16)17)11(14)7-10/h1-7H,13-14H2
InChIKey
ZHELWQKSRPWTPN-UHFFFAOYSA-N
Compound name
5-(4-aminophenoxy)-2-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

245.08005 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.08733 149.9
[M+Na]+ 268.06927 156.6
[M-H]- 244.07277 156.3
[M+NH4]+ 263.11387 165.2
[M+K]+ 284.04321 149.4
[M+H-H2O]+ 228.07731 146.7
[M+HCOO]- 290.07825 176.9
[M+CH3COO]- 304.09390 191.3
[M+Na-2H]- 266.05472 156.8
[M]+ 245.07950 146.3
[M]- 245.08060 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe